CID 579438

4-fluorobenzoic anhydride

Structural Information

Molecular Formula
C14H8F2O3
SMILES
C1=CC(=CC=C1C(=O)OC(=O)C2=CC=C(C=C2)F)F
InChI
InChI=1S/C14H8F2O3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H
InChIKey
BBLXFRIGTQYGOT-UHFFFAOYSA-N
Compound name
(4-fluorobenzoyl) 4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

505
Patents

262.04416 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05144 153.1
[M+Na]+ 285.03338 161.7
[M-H]- 261.03688 157.7
[M+NH4]+ 280.07798 169.5
[M+K]+ 301.00732 158.5
[M+H-H2O]+ 245.04142 144.1
[M+HCOO]- 307.04236 174.5
[M+CH3COO]- 321.05801 194.6
[M+Na-2H]- 283.01883 156.2
[M]+ 262.04361 152.3
[M]- 262.04471 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe